azane;iron;trihydrochloride

H6Cl3FeN — CID 173111064

IUPACazane;iron;trihydrochloride
SMILESCl.Cl.Cl.N.[Fe]
InChIInChI=1S/3ClH.Fe.H3N/h3*1H;;1H3
InChIKeyAQQCFEIFPXGDCN-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.42
Rot. Bonds

About azane;iron;trihydrochloride

azane;iron;trihydrochloride (PubChem CID 173111064) has the molecular formula H6Cl3FeN and a molecular weight of 182.26 g/mol. Its IUPAC name is azane;iron;trihydrochloride.

Molecular Properties

Compound Nameazane;iron;trihydrochloride
PubChem CID173111064
Molecular FormulaH6Cl3FeN
Molecular Weight182.26 g/mol
Exact Mass180.89
IUPAC Nameazane;iron;trihydrochloride
SMILESCl.Cl.Cl.N.[Fe]
InChIInChI=1S/3ClH.Fe.H3N/h3*1H;;1H3
InChIKeyAQQCFEIFPXGDCN-UHFFFAOYSA-N
XLogP1.42
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;iron;trihydrochloride?
The IUPAC name of azane;iron;trihydrochloride (CID 173111064) is azane;iron;trihydrochloride.
What is the SMILES notation for azane;iron;trihydrochloride?
The canonical SMILES for azane;iron;trihydrochloride is Cl.Cl.Cl.N.[Fe].
What is the InChIKey of azane;iron;trihydrochloride?
The InChIKey is AQQCFEIFPXGDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/3ClH.Fe.H3N/h3*1H;;1H3.
What are the key properties of azane;iron;trihydrochloride?
azane;iron;trihydrochloride has a molecular weight of 182.26 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;iron;trihydrochloride is sourced from PubChem (CID 173111064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).